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Compound Detail

CHEMBL1185777

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CCn1c(=O)/c(=C2\C=CC=CN2C)s/c1=C\c1sc2ccccc2[n+]1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185777
Phase Preclinical
Structure Type MOL
InChI Key AGGZKFKFEMPMSW-SILNSSARSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.6
MW (Da)
2.40
ALogP
5
HBA
0
HBD
29.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N3OS2+
MW 396.56
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.59

Data from ChEMBL 36 via Core Engine